CAS RN: 72939-58-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H11CrN6Na2O16S3
MOLECULAR WEIGHT: 821.53468
SMILES: [H+].C1=CC(=C(C2=CC(=C(C(=C21)[O-])N=NC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])N=NC4=C(C(=CC(=C4)S(=O)(=O)[O-])C(=O)[O-])O)N.[Na+].[Na+].[Cr+3]
Structure:
CAS RN: 70833-36-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H32CrN22Na3O31S3
MOLECULAR WEIGHT: 1774.18529
SMILES: [H+].C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=C(C(=C(C(=C3)N=NC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])O.C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=C(C(=C(C(=C3)N=NC4=CC(=CC(=C4[O-])
Structure:
CAS RN: 127708-41-2
CAS Name: (2S)-2-amino-4-[[(2S)-butan-2-yl]sulfonimidoyl]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(1S)-1-methylpropyl]sulfonimidoyl]butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(2S)-butan-2-yl]sulfonimidoyl]butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[[(2S)-butan-2-yl]sulfonimidoyl]butanoic acid
MOLECULAR FORMULA: C8H18N2O3S
MOLECULAR WEIGHT: 222.30512
SMILES: CC[C@H](C)[S@](=N)(=O)CC[C@@H](C(=O)O)N
Structure:
CAS RN: 85631-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H28N9Na3O15S3
MOLECULAR WEIGHT: 1051.87663
SMILES: COC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=C(C=C(C=C4)NC5=CC(=C(C=C5)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])O)O)O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 6473-04-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H19N10NaO11S
MOLECULAR WEIGHT: 750.58703
SMILES: C1=CC(=CC=C1N=NC2=C(C(=C(C=C2)O)N=NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C=CC(=C4O)N=NC5=CC=C(C=C5)[N+](=O)[O-])O)O)[N+](=O)[O-].[Na+]
Structure:
CAS RN: 71566-41-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H27N8Na3O14S2
MOLECULAR WEIGHT: 988.79759
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C(=C3O)C=CC(=C4N=NC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)[O-])N)S(=O)(=O)[O-])OC)N=NC6=C(C=CC7=C6C=CC(=C7)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 71598-22-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H27N8Na3O14S2
MOLECULAR WEIGHT: 988.79759
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C(=C3O)C=CC(=C4N=NC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)[O-])N)S(=O)(=O)[O-])OC)N=NC6=C(C=CC7=C6C=CC(=C7)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 83221-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H27N8Na3O14S2
MOLECULAR WEIGHT: 988.79759
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C(=C3O)C=CC(=C4N=NC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)[O-])N)S(=O)(=O)[O-])OC)N=NC6=C(C=CC7=C6C=CC(=C7)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 11107-97-4
CAS Name: dioxido-oxo-sulfanylidenemolybdenum
OPENEYE Name: dioxido-oxo-thioxo-molybdenum
IUPAC Name: dioxido-oxo-sulfanylidenemolybdenum
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-sulfanylidene-molybdenum
MOLECULAR FORMULA: MoO3S-2
MOLECULAR WEIGHT: 176.0032
SMILES: [O-][Mo](=O)(=S)[O-]
Structure:
CAS RN: 5422-17-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H21N8Na3O12S2
MOLECULAR WEIGHT: 878.68695
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 912273-65-5
CAS Name: N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-[dimethylamino(oxo)methyl]-2-[[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]cyclohexyl]oxamide; 4-methylbenzenesulfonic acid; hydrate
OPENEYE Name: N'-(5-chloro-2-pyridyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide; 4-methylbenzenesulfonic acid; hydrate
IUPAC Name: N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide; 4-methylbenzenesulfonic acid; hydrate
SYSTEMATIC NAME: N'-(5-chloranylpyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]cyclohexyl]ethanediamide; 4-methylbenzenesulfonic acid; hydrate
MOLECULAR FORMULA: C31H40ClN7O8S2
MOLECULAR WEIGHT: 738.2744
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C.O
Structure:
CAS RN: 14536-19-7
CAS Name: oxalate; zirconium
OPENEYE Name: oxalate; zirconium
IUPAC Name: oxalate; zirconium
SYSTEMATIC NAME: ethanedioate; zirconium
MOLECULAR FORMULA: C4O8Zr-4
MOLECULAR WEIGHT: 267.262
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Zr]
Structure:
CAS RN: 16283-36-6
CAS Name: zinc 2-hydroxybenzoate trihydrate
OPENEYE Name: zinc 2-hydroxybenzoate trihydrate
IUPAC Name: zinc 2-hydroxybenzoate trihydrate
SYSTEMATIC NAME: zinc 2-oxidanylbenzoate trihydrate
MOLECULAR FORMULA: C14H16O9Zn
MOLECULAR WEIGHT: 393.68044
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.O.O.O.[Zn+2]
Structure:
CAS RN: 14883-46-6
CAS Name: dizinc iron(2+) hexacyanide
OPENEYE Name: ferrous dizinc hexacyanide
IUPAC Name: dizinc iron(2+) hexacyanide
SYSTEMATIC NAME: dizinc iron(2+) hexacyanide
MOLECULAR FORMULA: C6FeN6Zn2
MOLECULAR WEIGHT: 342.7674
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Zn+2].[Zn+2]
Structure:
CAS RN: 14024-63-6
CAS Name: zinc pentane-2,4-dione
OPENEYE Name: zinc pentane-2,4-dione
IUPAC Name: zinc pentane-2,4-dione
SYSTEMATIC NAME: zinc pentane-2,4-dione
MOLECULAR FORMULA: C10H14O4Zn
MOLECULAR WEIGHT: 263.62476
SMILES: CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zn+2]
Structure:
CAS RN: 5970-44-5
CAS Name: yttrium(3+) tricarbonate trihydrate
OPENEYE Name: yttrium(3+) tricarbonate trihydrate
IUPAC Name: yttrium(3+) tricarbonate trihydrate
SYSTEMATIC NAME: yttrium(3+) tricarbonate trihydrate
MOLECULAR FORMULA: C3H6O12Y2
MOLECULAR WEIGHT: 411.88424
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.[Y+3].[Y+3]
Structure:
CAS RN: 12008-32-1
CAS Name: boron; yttrium
OPENEYE Name: boron; yttrium
IUPAC Name: boron; yttrium
SYSTEMATIC NAME: boron; yttrium
MOLECULAR FORMULA: B6Y
MOLECULAR WEIGHT: 153.77185
SMILES: [B].[B].[B].[B].[B].[B].[Y]
Structure:
CAS RN: 10034-98-7
CAS Name: ytterbium(3+) trisulfate octahydrate
OPENEYE Name: ytterbium(3+) trisulfate octahydrate
IUPAC Name: ytterbium(3+) trisulfate octahydrate
SYSTEMATIC NAME: ytterbium(3+) trisulfate octahydrate
MOLECULAR FORMULA: H16O20S3Yb2
MOLECULAR WEIGHT: 778.39004
SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Yb+3].[Yb+3]
Structure:
CAS RN: 12008-33-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: B6Yb
MOLECULAR WEIGHT: 237.906
SMILES: B12B3[B-]14B5[B-]23B45.[Yb+2]
Structure:
CAS RN: 15313-43-6
CAS Name: N-cyano-N-[3-(trifluoromethyl)phenyl]formamide
OPENEYE Name: N-cyano-N-[3-(trifluoromethyl)phenyl]formamide
IUPAC Name: N-cyano-N-[3-(trifluoromethyl)phenyl]formamide
SYSTEMATIC NAME: N-cyano-N-[3-(trifluoromethyl)phenyl]methanamide
MOLECULAR FORMULA: C9H5F3N2O
MOLECULAR WEIGHT: 214.14401
SMILES: C1=CC(=CC(=C1)N(C=O)C#N)C(F)(F)F
Structure:
CAS RN: 9006-50-2
CAS Name: 5,5-dimethyl-2,4-dioxo-3-oxazolidinecarboxamide
OPENEYE Name: 5,5-dimethyl-2,4-dioxo-oxazolidine-3-carboxamide
IUPAC Name: 5,5-dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide
SYSTEMATIC NAME: 5,5-dimethyl-2,4-bis(oxidanylidene)-1,3-oxazolidine-3-carboxamide
MOLECULAR FORMULA: C6H8N2O4
MOLECULAR WEIGHT: 172.13872
SMILES: CC1(C(=O)N(C(=O)O1)C(=O)N)C
Structure:
CAS RN: 24904-11-8
CAS Name: 1-(didecoxymethoxy)decane
OPENEYE Name: 1-(didecoxymethoxy)decane
IUPAC Name: 1-(didecoxymethoxy)decane
SYSTEMATIC NAME: 1-(didecoxymethoxy)decane
MOLECULAR FORMULA: C31H64O3
MOLECULAR WEIGHT: 484.83806
SMILES: CCCCCCCCCCOC(OCCCCCCCCCC)OCCCCCCCCCC
Structure:
CAS RN: 10580-03-7
CAS Name: diammonium; oxalate; titanium(4+)
OPENEYE Name: diammonium; oxalate; titanium(4+)
IUPAC Name: diazanium; oxalate; titanium(4+)
SYSTEMATIC NAME: diazanium; ethanedioate; titanium(4+)
MOLECULAR FORMULA: C6H8N2O12Ti
MOLECULAR WEIGHT: 348.00092
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+].[Ti+4]
Structure:
CAS RN: 13778-39-7
CAS Name: thulium(3+) trichloride heptahydrate
OPENEYE Name: thulium(3+) trichloride heptahydrate
IUPAC Name: thulium(3+) trichloride heptahydrate
SYSTEMATIC NAME: thulium(3+) trichloride heptahydrate
MOLECULAR FORMULA: Cl3H14O7Tm
MOLECULAR WEIGHT: 401.40017
SMILES: O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Tm+3]
Structure:
CAS RN: 87198-17-2
CAS Name: thulium(3+) tricarbonate hydrate
OPENEYE Name: thulium(3+) tricarbonate hydrate
IUPAC Name: thulium(3+) tricarbonate hydrate
SYSTEMATIC NAME: thulium(3+) tricarbonate hydrate
MOLECULAR FORMULA: C3H2O10Tm2
MOLECULAR WEIGHT: 535.9104
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Tm+3].[Tm+3]
Structure:
CAS RN: 13597-30-3
CAS Name: hypofluorous acid fluoro ester; thorium
OPENEYE Name: fluoro hypofluorite; thorium
IUPAC Name: fluoro hypofluorite; thorium
SYSTEMATIC NAME: fluoranyl hypofluorite; thorium
MOLECULAR FORMULA: F2OTh
MOLECULAR WEIGHT: 286.034306
SMILES: O(F)F.[Th]
Structure:
CAS RN: 872-21-9
CAS Name: tetradeca-1,7,13-triyne
OPENEYE Name: tetradeca-1,7,13-triyne
IUPAC Name: tetradeca-1,7,13-triyne
SYSTEMATIC NAME: tetradeca-1,7,13-triyne
MOLECULAR FORMULA: C14H18
MOLECULAR WEIGHT: 186.29272
SMILES: C#CCCCCC#CCCCCC#C
Structure:
CAS RN: 52623-79-7
CAS Name: disodium dioxido(oxo)lead trihydrate
OPENEYE Name: disodium dioxido(oxo)lead trihydrate
IUPAC Name: disodium dioxido(oxo)lead trihydrate
SYSTEMATIC NAME: disodium bis(oxidanidyl)-oxidanylidene-lead trihydrate
MOLECULAR FORMULA: H6Na2O6Pb
MOLECULAR WEIGHT: 355.22358
SMILES: O.O.O.[O-][Pb](=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 80789-79-3
CAS Name: ammonium; disodium; ammonia; iron(2+); pentacyanide; pentahydrate
OPENEYE Name: ammonium ferrous disodium ammonia pentacyanide pentahydrate
IUPAC Name: azanium; disodium; azane; iron(2+); pentacyanide; pentahydrate
SYSTEMATIC NAME: azanium; disodium; azane; iron(2+); pentacyanide; pentahydrate
MOLECULAR FORMULA: C5H17FeN7Na2O5
MOLECULAR WEIGHT: 357.05692
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].N.O.O.O.O.O.[Na+].[Na+].[Fe+2]
Structure:
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